N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-4-(2,4,6-trifluorobenzoyl)-1-H-pyrrole-2-carboxamide
Basic information
- Standard SMILES
Cc1nnc(CNC(=O)c2cc(C(=O)c3c(F)cc(F)cc3F)c[nH]2)s1- InChIKey
HCFQMVPRDWLVCN-UHFFFAOYSA-N- Molecular formula
- C16H11F3N4O2S
- Average molar mass
- 380.3 g/mol
- Monoisotopic mass
- 380.05548127
Names & identifiers
- Preferred name
- N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-4-(2,4,6-trifluorobenzoyl)-1-H-pyrrole-2-carboxamide
- IUPAC
- N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-4-(2,4,6-trifluorobenzoyl)-1H-pyrrole-2-carboxamide
Names & synonyms
SCHEMBL10042044HCFQMVPRDWLVCN-UHFFFAOYSA-NN-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-4-(2,4,6-trifluorobenzoyl)-1-H-pyrrole-2-carboxamide
Database identifiers
- PubChem CID
- 49784129
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 116 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 532
Related reactions
1 records
Compound notes
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